1-[4-(4-morpholin-4-yl-8-oxo-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-2-yl)phenyl]-3-propylurea

C48H60N12O6 — CID 158522789

IUPAC1-[4-(4-morpholin-4-yl-8-oxo-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-2-yl)phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN2C(=O)CCC32)cc1.CCCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN2C(=O)CCC32)cc1
InChIInChI=1S/2C24H30N6O3/c2*1-2-10-25-24(32)26-17-5-3-16(4-6-17)22-27-21-18(9-11-30-19(21)7-8-20(30)31)23(28-22)29-12-14-33-15-13-29/h2*3-6,19H,2,7-15H2,1H3,(H2,25,26,32)
InChIKeyHMKNSOPTNXQUAD-UHFFFAOYSA-N
MW901.09 g/mol
LogP5.46
Rot. Bonds10

About 1-[4-(4-morpholin-4-yl-8-oxo-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-2-yl)phenyl]-3-propylurea

1-[4-(4-morpholin-4-yl-8-oxo-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-2-yl)phenyl]-3-propylurea (PubChem CID 158522789) has the molecular formula C48H60N12O6 and a molecular weight of 901.09 g/mol. Its IUPAC name is 1-[4-(4-morpholin-4-yl-8-oxo-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-2-yl)phenyl]-3-propylurea.

Molecular Properties

Compound Name1-[4-(4-morpholin-4-yl-8-oxo-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-2-yl)phenyl]-3-propylurea
PubChem CID158522789
Molecular FormulaC48H60N12O6
Molecular Weight901.09 g/mol
Exact Mass900.48
IUPAC Name1-[4-(4-morpholin-4-yl-8-oxo-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-2-yl)phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN2C(=O)CCC32)cc1.CCCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN2C(=O)CCC32)cc1
InChIInChI=1S/2C24H30N6O3/c2*1-2-10-25-24(32)26-17-5-3-16(4-6-17)22-27-21-18(9-11-30-19(21)7-8-20(30)31)23(28-22)29-12-14-33-15-13-29/h2*3-6,19H,2,7-15H2,1H3,(H2,25,26,32)
InChIKeyHMKNSOPTNXQUAD-UHFFFAOYSA-N
XLogP5.46
TPSA199.38 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500901.09
LogP ≤ 55.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 1-[4-(4-morpholin-4-yl-8-oxo-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-2-yl)phenyl]-3-propylurea with MolForge

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Launch Full Analysis

Related Compounds

1-ethyl-3-[4-[(1S)-6-morpholin-4-yl-11-oxo-3,5,10,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-4-yl]phenyl]urea
CID 67478381
1-ethyl-3-[4-[8-methyl-4-morpholin-4-yl-7-(oxetan-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 59239614
1-ethyl-3-[4-[(8R)-8-methyl-7-(6-methylpyrimidin-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 44814930
1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl]urea
CID 91294724
1-ethyl-3-[4-[4-morpholin-4-yl-7-(oxan-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 143935936
tert-butyl (8S)-8-ethyl-2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 67176656
ethane;1-ethyl-3-[4-(7-ethyl-4-morpholin-4-yl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea
CID 143935928
1-(2-chloroethyl)-3-[4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]urea
CID 89181870
N-ethyl-2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 46913264
1-[4-(7-cyclopropylsulfanyl-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]-3-ethylurea
CID 143936074
1-(4-morpholin-4-ylphenyl)-3-propylurea
CID 2788991
1-ethyl-3-[4-[4-morpholin-4-yl-7-(oxetan-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 59239355

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-morpholin-4-yl-8-oxo-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-2-yl)phenyl]-3-propylurea?
The IUPAC name of 1-[4-(4-morpholin-4-yl-8-oxo-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-2-yl)phenyl]-3-propylurea (CID 158522789) is 1-[4-(4-morpholin-4-yl-8-oxo-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-2-yl)phenyl]-3-propylurea.
What is the SMILES notation for 1-[4-(4-morpholin-4-yl-8-oxo-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-2-yl)phenyl]-3-propylurea?
The canonical SMILES for 1-[4-(4-morpholin-4-yl-8-oxo-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-2-yl)phenyl]-3-propylurea is CCCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN2C(=O)CCC32)cc1.CCCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN2C(=O)CCC32)cc1.
What is the InChIKey of 1-[4-(4-morpholin-4-yl-8-oxo-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-2-yl)phenyl]-3-propylurea?
The InChIKey is HMKNSOPTNXQUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H30N6O3/c2*1-2-10-25-24(32)26-17-5-3-16(4-6-17)22-27-21-18(9-11-30-19(21)7-8-20(30)31)23(28-22)29-12-14-33-15-13-29/h2*3-6,19H,2,7-15H2,1H3,(H2,25,26,32).
What are the key properties of 1-[4-(4-morpholin-4-yl-8-oxo-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-2-yl)phenyl]-3-propylurea?
1-[4-(4-morpholin-4-yl-8-oxo-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-2-yl)phenyl]-3-propylurea has a molecular weight of 901.09 g/mol, XLogP of 5.46, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-morpholin-4-yl-8-oxo-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-2-yl)phenyl]-3-propylurea is sourced from PubChem (CID 158522789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).